SCHEMBL3689342

SCHEMBL3689342

NS(=O)(=O)c1ccc2ccnc(N3CCN4CCCCC4C3)c2c1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 8/20 0.43
HRH3 Q9Y5N1 1/20 0.42
PLG P00747 1/20 0.41
PLAU P00749 1/20 0.41
PLAT P00750 1/20 0.41
MAP4K4 O95819 1/20 0.39
ADCY5 O95622 1/20 0.38
HTR1A P08908 2/20 0.38
HTR1D P28221 2/20 0.38
HTR1B P28222 2/20 0.38
KDM2B Q8NHM5 1/20 0.38
CTSS P25774 1/20 0.38
HRH4 Q9H3N8 1/20 0.37
HDAC1 Q13547 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3689067 0.85 HTR6 (0.40) HTR6HRH3MAP4K4ADCY5HTR1A
SCHEMBL13170091 0.82 HTR6 (0.39) HTR6HRH3MAP4K4ADCY5HTR1A
SCHEMBL3687421 0.81 HRH3 (0.46) HTR6HRH3MAP4K4HTR1AHTR1D
SCHEMBL3683350 0.81 HRH4 (0.54) HTR6HRH3HTR1AHTR1DHTR1B
SCHEMBL3691274 0.79 HRH3 (0.43) HTR6HRH3MAP4K4HTR1AHTR1D
SCHEMBL3680205 0.79 HRH3 (0.46) HRH3KDM2B
SCHEMBL3686354 0.78 HRH4 (0.58) HTR6HRH3MAP4K4HTR1AHTR1D
SCHEMBL13170086 0.78 HRH4 (0.43) HTR6HRH3MAP4K4ADCY5HTR1A
SCHEMBL3681598 0.78 HRH4 (0.58) HTR6HRH3MAP4K4HTR1AHTR1D
SCHEMBL13170080 0.76 HTR1A (0.40) HTR6HRH3MAP4K4ADCY5HTR1A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1724267-B1 PYRIMIDINE DERIVATIVE ASKA PHARM CO LTD (JP) 2013-11-06 EP disclosed
US-7799775-B2 such as 3-amino-5,6-dimethyl-2-[3-(4-quinolin-2-ylpiperazin-1-yl)propylthio]-3H-thieno[2,3-d]pyrimidin-4-one, having serotonin receptor modulatory activity, used for treating irritable bowel syndrome ASKA PHARMACEUTICAL CO., LTD. (JP) 2010-09-21 US disclosed
US-20070197551-A1 Pyrimidine derivatives ASKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-23 US disclosed
EP-1724267-A1 PYRIMIDINE DERIVATIVE ASKA Pharmaceutical Co., Ltd. (JP) 2006-11-22 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070197551-A1 Pyrimidine derivatives HTR3B, HTR3A, HTR1A HTR6 18/4885HRH3 50/4885PLG 4726/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.